SCHEMBL1502301

SCHEMBL1502301

CCS(=O)(=O)CCC12CCC(C(=O)OC)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 9/20 0.35
CHRM1 P11229 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HSD11B2 P80365 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
IDH1 O75874 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1502450 0.90 NPSR1 (0.35) NPSR1HSD11B1CHRM1CYP4F2CYP4A11
SCHEMBL1502411 0.81 HSD11B1 (0.36) HSD11B1CYP4F2CYP4A11HSD11B2
SCHEMBL13784385 0.81 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL12759874 0.80 CHRM1 (0.37) NPSR1HSD11B1CHRM1CYP4F2CYP4A11
SCHEMBL6916391 0.80 HSD11B1 (0.34) HSD11B1HSD11B2
SCHEMBL12759904 0.80 HSD11B1 (0.36) NPSR1HSD11B1CHRM1
SCHEMBL1502470 0.79 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL12251757 0.77 CYP4F2 (0.43) NPSR1HSD11B1CHRM1CYP4F2CYP4A11
SCHEMBL14087273 0.76 CHRM1 (0.39) NPSR1HSD11B1CHRM1CYP4F2CYP4A11
SCHEMBL4325284 0.76 CCR2 (0.44) NPSR1CHRM1CYP4F2CYP4A11ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
EP-1797034-B1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-06-30 EP disclosed
EP-1797034-B1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-06-30 EP disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD11B2 NPSR1 2652/4885HSD11B1 1/4885CHRM1 3378/4885
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 NPSR1 2532/4885HSD11B1 1/4885CHRM1 4027/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 NPSR1 2632/4885HSD11B1 1/4885CHRM1 3855/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 NPSR1 2532/4885HSD11B1 1/4885CHRM1 4027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.